Geometry & MOs

Info

ID:

108983

PubChem CID:

50267107

Reduced:

O4N5C36H43 (1)

Stoich.:

A4B5C36D43 (1)

Weight, g/mol:

569.300205

ΔHf, kcal/mol:

-131.96

Dipole, Da:

4.06

IP(EA), eV:

 -8.72(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations